Reaction Details Report a problem with these data
Target
Adenosine deaminase
Ligand
BDBM50139883
Substrate
n/a
Meas. Tech.
ChEMBL_30790 (CHEMBL645067)
Ki
12000±n/a nM
Citation
 Reayi, A; Hosmane, RS Inhibition of adenosine deaminase by novel 5:7 fused heterocycles containing the imidazo[4,5-e][1,2,4]triazepine ring system: a structure-activity relationship study. J Med Chem 47:1044-50 (2004) [PubMed]  Article 
Target
Name:
Adenosine deaminase
Synonyms:
ADA | ADA_BOVIN | Adenosine aminohydrolase
Type:
Enzyme
Mol. Mass.:
40910.44
Organism:
Bos taurus (bovine)
Description:
n/a
Residue:
363
Sequence:
MAQTPAFNKPKVELHVHLDGAIKPETILYYGRKRGIALPADTPEELQNIIGMDKPLSLPEFLAKFDYYMPAIAGCREAVKRIAYEFVEMKAKDGVVYVEVRYSPHLLANSKVEPIPWNQAEGDLTPDEVVSLVNQGLQEGERDFGVKVRSILCCMRHQPSWSSEVVELCKKYREQTVVAIDLAGDETIEGSSLFPGHVKAYAEAVKSGVHRTVHAGEVGSANVVKEAVDTLKTERLGHGYHTLEDATLYNRLRQENMHFEVCPWSSYLTGAWKPDTEHPVVRFKNDQVNYSLNTDDPLIFKSTLDTDYQMTKNEMGFTEEEFKRLNINAAKSSFLPEDEKKELLDLLYKAYGMPSPASAEQCL
  
Inhibitor
Name:
BDBM50139883
Synonyms:
1-(4-Methoxy-benzyl)-6,7-dimethyl-8-propoxy-1,6,7,8-tetrahydro-imidazo[4,5-e][1,2,4]triazepine | CHEMBL9435
Type:
Small organic molecule
Emp. Form.:
C18H25N5O2
Mol. Mass.:
343.4234
SMILES:
CCCOC1N(C)N(C)C=Nc2ncn(Cc3ccc(OC)cc3)c12 |c:9|
Structure:
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